Monomers

2-Tert-butyl-6-ethenylnaphthalene

Identifiers

IUPAC name
2-tert-butyl-6-ethenylnaphthalene
InchI
InChI=1S/C16H18/c1-5-12-6-7-14-11-15(16(2,3)4)9-8-13(14)10-12/h5-11H,1H2,2-4H3
InchI Key
PMIYUQAELBKOLL-UHFFFAOYSA-N
SMILES
C=Cc1ccc2c(c1)ccc(c2)C(C)(C)C
Canonical SMILES
CC(C)(C)C1=CC2=C(C=C1)C=C(C=C2)C=C
Isomeric SMILES
CC(C)(C)C1=CC2=C(C=C1)C=C(C=C2)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C16H18
Heavy Atom Count
16
Molecular Weight
210.32
Exact Molecular Weight
210.1409
Valence Electrons
82
Radical Electrons
0
tPSA
0.0
MolLogP
4.7803
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2

MOL File


     RDKit          3D

 34 35  0  0  0  0  0  0  0  0999 V2000
    5.6132    0.4498   -0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9679   -0.5147    0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5217   -0.6093    0.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8461   -1.7424    0.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4591   -1.8429    0.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7202   -0.7425    0.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3506    0.4103   -0.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276    0.4396   -0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5893    1.5071   -0.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747    1.4840   -0.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4137    0.3350   -0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6661   -0.7588    0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8862    0.1971   -0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3921   -1.0072   -0.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2961    0.0944    1.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4698    1.4349   -0.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1346    1.2005   -0.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6909    0.5085   -0.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -1.2517    0.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4379   -2.5824    0.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9876   -2.7410    0.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1902    1.3527   -0.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1481    2.3784   -0.9278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3490    2.3323   -0.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1610   -1.6667    0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4725   -0.9113   -1.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2095   -1.9551   -0.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8402   -1.0279   -1.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3793    0.0348    1.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9056    0.9401    1.8914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8256   -0.8266    1.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9816    1.5072   -1.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2888    2.3597   -0.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5651    1.2142   -0.9538 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
  8  3  1  0
 12  6  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  4 20  1  0
  5 21  1  0
  8 22  1  0
  9 23  1  0
 10 24  1  0
 12 25  1  0
 14 26  1  0
 14 27  1  0
 14 28  1  0
 15 29  1  0
 15 30  1  0
 15 31  1  0
 16 32  1  0
 16 33  1  0
 16 34  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers